ChemSpider 2D Image | N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]nicotinamide | C37H46N6O7

N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]nicotinamide

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID71344099

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarboxamide, N-[(9S,12S,15R)-24-methoxy-15-(1-methylethyl)-4,10,13,16-tetraoxo-12-(phenylmethyl)-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]- [ACD/Index Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]nicotinamid [German] [ACD/IUPAC Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]nicotinamide [ACD/IUPAC Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-méthoxy-4,10,13,16-tétraoxo-2-oxa-5,11,14,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-trién-9-yl]nicotinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1062.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.0±3.0 kJ/mol
Flash Point: 596.5±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.87
ACD/KOC (pH 5.5): 123.16
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 7.4): 124.19
Polar Surface Area: 177 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

Click to predict properties on the Chemicalize site


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